(2E)-N-(4-chlorophenyl)-2-[(4-chlorophenyl)diazenyl]-2-[(4-chlorophenyl)hydrazinylidene]acetamide
Formula:C20H14N5OCl3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:low
(2E)-N-(4-chlorophenyl)-2-[(4-chlorophenyl)diazenyl]-2-[(4-chlorophenyl)hydrazinylidene]acetamide is not a drug-like molecule.
| MolName | (2E)-N-(4-chlorophenyl)-2-[(4-chlorophenyl)diazenyl]-2-[(4-chlorophenyl)hydrazinylidene]acetamide |
| MolecularFormula | C20H14N5OCl3 |
| Smiles | O=C(/C(/N=N/c(cc1)ccc1Cl)=N\Nc(cc1)ccc1Cl)Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C20H14Cl3N5O/c21-13-1-7-16(8-2-13)24-20(29)19(27-25-17-9-3-14(22)4-10-17)28-26-18-11-5-15(23)6-12-18/h1-12,25H,(H,24,29) |
| InChIK | LRVSHCOCHAACCB-UHFFFAOYSA-N |
| TotalMolweight | 446.724 |
| Molweight | 446.724 |
| MonoisotopicMass | 445.026391 |
| CLogP | 7.3154 |
| CLogS | -6.97 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 325.7 |
| Relative PSA | 0.21643 |
| PolarSurfaceArea | 78.21 |
| Druglikeness | -0.80411 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | azo |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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